5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
化学名:5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
CAS番号.40054-40-8
英語名:5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
CBNumberCB71504380
MFC15H13ClN2S2
MW320.86
MOL File40054-40-8.mol
5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE物理性質
融点 | 198-199℃ |
沸点 | 438.6±55.0 °C(Predicted) |
比重(密度) | 1.39 |
酸解離定数(Pka) | 9.99±0.40(Predicted) |
InChI | InChI=1S/C15H13ClN2S2/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19) |
InChIKey | VWFRDTLDEMPIJT-UHFFFAOYSA-N |
SMILES | N1=C(C2=CC=CC=C2Cl)C2C=C(CC)SC=2NC(=S)C1 |